SCHEMBL5778683

SCHEMBL5778683

Nc1nc2cccnc2n1C1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.54
PDE4D Q08499 4/20 0.54
ALDH1A1 P00352 2/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
HCAR1 Q9BXC0 1/20 0.48
MAPK1 P28482 3/20 0.47
KDM4E B2RXH2 1/20 0.47
TP53 P04637 1/20 0.45
MAPT P10636 3/20 0.43
USP2 O75604 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 1/20 0.42
LMNA P02545 3/20 0.41
PKM P14618 1/20 0.41
PRKACA P17612 1/20 0.40
RPS6KB1 P23443 1/20 0.40
GSK3B P49841 1/20 0.40
ROCK1 Q13464 1/20 0.40
OPRM1 P35372 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5775573 1.00 PDE4B (0.54) PDE4BPDE4DALDH1A1TSHRHSD17B10
SCHEMBL5775620 1.00 PDE4B (0.54) PDE4BPDE4DALDH1A1TSHRHSD17B10
SCHEMBL16084474 0.95 PDE4B (0.52) PDE4BPDE4DALDH1A1TSHRHSD17B10
SCHEMBL9688984 0.86 TP53 (0.57) PDE4BPDE4DALDH1A1TSHRHSD17B10
SCHEMBL9539176 0.85 TP53 (0.62) PDE4BPDE4DALDH1A1TSHRHSD17B10
SCHEMBL19851079 0.82 PDE4B (0.54) PDE4BPDE4DALDH1A1TSHRHSD17B10
SCHEMBL21311255 0.76 OPRM1 (0.59) ALDH1A1HCAR1MAPK1KDM4ETP53
SCHEMBL14582733 0.76 PDE4B (0.49) PDE4BPDE4DALDH1A1TSHRHSD17B10
SCHEMBL2193920 0.76 HCAR1 (0.51) PDE4BPDE4DALDH1A1TSHRHSD17B10
SCHEMBL2929873 0.74 RPS6KB1 (0.58) HCAR1MAPK1TP53MAPTLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7098220-B2 Imidazopyridine derivatives, preparation method and pharmaceutical compositions containing same LES LABORATOIRES SERVIER (FR) 2006-08-29 US disclosed
EP-1558612-B1 IMIDAZOPYRIDINE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2006-08-23 EP disclosed
US-20060069117-A1 Imidazopyridine derivatives, preparation method and pharmaceutical compositions containing same LES LABORATOIRES SERVIER (FR) 2006-03-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060069117-A1 Imidazopyridine derivatives, preparation method and pharmaceutical compositions containing same PRKAA1, PRKAB1, PRKAB2 PDE4B 1257/4885PDE4D 1425/4885ALDH1A1 1174/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.